2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C17H19N5O3S/c1-10-8-13(22(24)25)6-7-14(10)18-15(23)9-26-17-20-19-16(11-2-3-11)21(17)12-4-5-12/h6-8,11-12H,2-5,9H2,1H3,(H,18,23)